N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide

C13H10N4OS — CID 2441420

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)11-7-6-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,15,17,18)
InChIKeySBAUBKNEBHOUIA-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.65
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (PubChem CID 2441420) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
PubChem CID2441420
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)11-7-6-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,15,17,18)
InChIKeySBAUBKNEBHOUIA-UHFFFAOYSA-N
XLogP2.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 2105353
N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 4884038
N2,N6-bis(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
CID 659567
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 1186276
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 1261743
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 2091388
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
CID 2121796
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,5-diphenylpyrazole-3-carboxamide
CID 2426745
2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2446271
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2475450
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 2914673

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (CID 2441420) is N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is Cc1nnc(NC(=O)c2ccc3ccccc3n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is SBAUBKNEBHOUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-8-16-17-13(19-8)15-12(18)11-7-6-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 2441420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).